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Research Inventy: International Journal Of Engineering And Science Issn: 2278-4721, Vol. 2, Issue 2 (January 2013), Pp 25-27 Www.Researchinventy.Com

Phase Transition in Titanium Oxide under High P ressure Surendra Kumar Singh1, Dr. Raja Chauhan2 1

2

(Research Schoolor, Mats University, Raipur) (Mittal Institute Of Science And Technology, Bhopal, India)

Abstract :Transition metal oxides are very interesting, useful and technically relevant materials due to their nature of existence. We have studied the nature of TiO as transition metal oxide and their phase transition under high pressure. We have explored the effect of high pressure on transition metal oxides with the help of proper potential model. A theoretical study of phase transition under high pressure and elastic behavior of transition metal oxides using three body interaction potential model is t he result of deformation of electron shells due to overlapping of ions. Transition metal oxides are very hard in nature that is why phase transition occurs at very high pressure. We have applied three body potential model to study transition in Titanium Oxide(TiO). TiO exhibits phase transition from relatively less densed NaCl structure to more densed CsCl atomic arrangement. Under very high pressure TiO undergoes phase transition from B1(Rocksalt) to B2(CsCl). Structure which is associated with a sudden collapse in volume shows first order phase transition.

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Introduction

Transition metal o xides is one of most interesting class of solids which shows different variety of novel properties [1-5]. These properties arises due to the outer ‘d’ electron present in the ions of transition metals. These outer ‘d’ electrons can not be detected by neighboring atoms. The intermed iate character of these electrons exhib its itself in terms of behavior of localized electrons in some o xides. In some o xides they shows collective behavior also. Both kinds of ‘d’ electrons can also exists at the same time at some instances. During last few years the field of transition metal o xides have become very intensive and of great interest for condensed matter physicist because of its vast properties. The nature of bodings in these oxides varies from ionic to covalent. In the TiO metallic bonding has been found. As far as the crystal structure is concerned, in the case of transition metal o xides it varies fro m cubic to triclinic sy mmetry. The co mposition of TiO, wh ich is binary composition of oxides possess the rock-salt structure. When phase transition occurs in these oxides their structure changes from one type to another. For examp le under high pressure the structure of TiO get changes fro m the structure of NaCl to the structure of CsCl. Another interesting thing associated with this phase transition is the change in the magnetic, electrical, thermodynamical and optical properties of these crystals. Some o xides including TiO shows a wide range of non-stoichiometry. These deviations in stoichiomet ry occurres due to the deficiency of cation or anion. If this deviation in stoichiometry is very large it causes to change in the structure of crystal. Transition metal o xides shows a wide range o f electrical conductivity which is affected by deviations for stoichiometry. This oxides exh ibits a wide range of magnetic properties also. The properties of transition metal o xides can also be changed through adding impurities or by doping intentionally .The study of high pressure on different material are very important in the development of the basic science as well as fro m applied point of view. Transition metal o xides has very vast application in Scientific, Research and Industrial technologies.[6-9]. In the present investigation we have focus on phase transition of Titanium Oxides under very high pressure. The transition metal o xides MO(M-Metal Element, O-Non-metallic Element) are very hard, wear and corrosion resistance and having high melt ing point.[6-8]. TiO can replace Tungesten Carbides for a cutting tool material. A first order phase transition is characterized by the discontinuity in volume which is given by the first order derivation of Gibbs Free Energy. If the different variables like, temperature, pressure, electric field, magnetic field acting on a system is varied, the free energy of the system also changes. If such changes or variations in the free energy are associated with the atomic or electronic arrangement or configuration of the s ystem, we can say that phase transition is occurring.[14] The three body interaction arises from the transfer of charge during overlapping of ions. This is incorporated in the Gibbs free energy ( G = U+ PV – TS) as a function of pressure (P) and three body interaction (TBI). The value of interionic separation is calculated by minimizing the Gibbs free energy at different values of pressure. Phase transition pressure is computed at the pressure where difference in Gibbs free energy becomes zero.We will provide adequate and realistic information about various types of interionic interaction in the our present work. These are long range Coulomb interaction, three body interaction and overlap repulsion working between first and second neighbour ions in the ionic crystals of the NaCl(Rocksalt) structure. The three body

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